Geometry & MOs

Info

ID:	363975
PubChem CID:	127313644
Reduced:	NOSC13H23 (1)
Stoich.:	ABCD13E23 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-82.03
Dipole, Da:	5.81
IP(EA), eV:	-8.3(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethylpiperidin-1-yl)-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)C2CCSCC2)C

DOS

IR

Vibrations